I wasn't familiar with the shortcomings of SSSR identification, but it makes complete sense. I know that Daylight determines 'R' membership using SSSR (http://www.daylight.com/dayhtml/doc/theory/theory.smarts.html), so it seems likely that the SMARTS default would be to determine 'r' using SSSR as well.
Any thoughts on: (a) how to track down if this is the issue? (b) what to do about it other than just move to using OpenEye? Since I devoted quite a bit of time to developing scripts in PyBel for processing these molecules I'd really like to stay within OpenBabel SMARTS searching if I can. -- View this message in context: http://forums.openbabel.org/5-membered-ring-SMARTS-matching-problem-tp4656088p4656090.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_d2d_mar _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
